DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:07:29 UTC
Update Date	2025-03-21 18:29:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00080161
Frequency	36.3
Structure
Chemical Formula	C₁₈H₂₃N₄O₁₀P
Molecular Mass	486.1152
SMILES	Nc1c(C(=O)NC(Cc2ccccc2)C(=O)O)ncn1C1OC(COP(=O)(O)O)C(O)C1O
InChI Key	FQFBRDBWESDDIC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	imidazole ribonucleosides and ribonucleotides
Subclass	1-ribosyl-imidazolecarboxamides
Direct Parent	1-ribosyl-imidazolecarboxamides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,2-diols 2-heteroaryl carboxamides alpha amino acids amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carbonylimidazoles carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-acyl-alpha amino acids n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates phenylalanine and derivatives phenylpropanoic acids primary amines secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	monocyclic benzene moiety carboxylic acid amino acid or derivatives monosaccharide pentose-5-phosphate alpha-amino acid or derivatives 2-heteroaryl carboxamide saccharide organonitrogen compound alpha-amino acid organoheterocyclic compound 1,2-diol n-acyl-alpha amino acid or derivatives alcohol vinylogous amide azacycle n-acyl-alpha-amino acid heteroaromatic compound secondary carboxylic acid amide monoalkyl phosphate hydrocarbon derivative primary amine amine carbonyl group aromatic heteromonocyclic compound 3-phenylpropanoic-acid pentose phosphate amino acid carboxylic acid derivative organic oxide imidazole organopnictogen compound imidazole-4-carbonyl group amphetamine or derivatives azole n-substituted imidazole tetrahydrofuran carboxamide group 1-ribosyl-imidazolecarboxamide oxacycle monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phosphoric acid ester secondary alcohol benzenoid organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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